UCSF

ZINC13930057

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 21 No

Popular Name: (4Z)-2-(2-chloro-5-iodo-phenyl)-4-(4-pyridylmethylene)oxazol-5-one (4Z)-2-(2-chloro-5-iodo-phenyl)-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 8.83 -8.61 0 4 0 56 410.598 2 ↓
Lo Low (pH 4.5-6) 3.71 9.13 -39.63 1 4 1 57 411.606 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DAPK3-1-E Death-associated Protein Kinase 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 227 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 227.1 0.44 Binding ≤ 1μM
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 227.1 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of DCC in regulating apoptosis

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.